tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
Completing data — refresh the page later to see the latest
Basic information
- CAS
26957-73-3- Standard SMILES
OCCN1CNC(=S)NC1- InChIKey
NATVVRFRJHJKDJ-UHFFFAOYSA-N- Molecular formula
- C5H11N3OS
- Average molar mass
- 161.23 g/mol
- Monoisotopic mass
- 161.06228316
Names & identifiers
- Preferred name
- tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
- IUPAC
- 5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione
- English name
- tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
- Molecular formula
- C5H11N3OS
- Molecular weight
- 161.23
Names & synonyms
Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(2-hydroxyethyl)-EINECS 248-140-3UNII-35RR5ARA0635RR5ARA06DTXSID50734561-HYDROXYETHYL-TETRAHYDRO-4-S-TRIAZINETHIONES-TRIAZINE-2(1H)-THIONE, TETRAHYDRO-5-(2-HYDROXYETHYL)-RefChem:188632DTXCID5037602248-140-326957-73-3
Show more names
3,4,5,6-Tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione5-(2-Hydroxy-ethyl)-[1,3,5]triazinane-2-thioneF0861-0027Maybridge4_001035Oprea1_102855MLS001047369SCHEMBL7563300CHEMBL1310206
Database identifiers
- CAS
26957-73-3- PubChem CID
- 731344
- DTXSID
DTXSID5073456- ChEMBL
CHEMBL1310206- UNII
- 35RR5ARA06
- EC Number
- 248-140-3
- Nikkaji
- J308.426D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Solubility22.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 289.7 · 289.7±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 14.51 · 14.51±0.10(Predicted)
- FDA UNII
- 35 RR5ARA06 · 35RR5ARA06
- EPA Substance Registry System
- 1 · 1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(2-hydroxyethyl)- (26957-73-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…